ethane;methanol;oxepan-3-ol;propane

C12H30O3 — CID 176685478

IUPACethane;methanol;oxepan-3-ol;propane
SMILESCC.CCC.CO.OC1CCCCOC1
InChIInChI=1S/C6H12O2.C3H8.C2H6.CH4O/c7-6-3-1-2-4-8-5-6;1-3-2;2*1-2/h6-7H,1-5H2;3H2,1-2H3;1-2H3;2H,1H3
InChIKeyAUIHXSJAPRBTKM-UHFFFAOYSA-N
MW222.37 g/mol
LogP2.60
Rot. Bonds

About ethane;methanol;oxepan-3-ol;propane

ethane;methanol;oxepan-3-ol;propane (PubChem CID 176685478) has the molecular formula C12H30O3 and a molecular weight of 222.37 g/mol. Its IUPAC name is ethane;methanol;oxepan-3-ol;propane.

Molecular Properties

Compound Nameethane;methanol;oxepan-3-ol;propane
PubChem CID176685478
Molecular FormulaC12H30O3
Molecular Weight222.37 g/mol
Exact Mass222.22
IUPAC Nameethane;methanol;oxepan-3-ol;propane
SMILESCC.CCC.CO.OC1CCCCOC1
InChIInChI=1S/C6H12O2.C3H8.C2H6.CH4O/c7-6-3-1-2-4-8-5-6;1-3-2;2*1-2/h6-7H,1-5H2;3H2,1-2H3;1-2H3;2H,1H3
InChIKeyAUIHXSJAPRBTKM-UHFFFAOYSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-3-ol;propane
CID 144858845
ethane;(3R)-oxolan-3-ol
CID 145226146
10-hexoxy-oxacyclotetradecan-3-ol
CID 173215494
8-hexoxyoxecan-3-ol
CID 173215315
cyclooctanol;oxolane
CID 66863084
(3R)-oxolan-3-ol;hydrochloride
CID 101043602
(3R,4R)-oxocane-3,4-diol
CID 158919848
ethane;oxepane-3,5-diol
CID 176685419
cyclohexane-1,2-diol;ethane;propane
CID 143149782
cyclohexanol;methanol
CID 18353815
4-aminooxocan-3-ol
CID 20775089
3-fluorooxepane
CID 118248166

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;oxepan-3-ol;propane?
The IUPAC name of ethane;methanol;oxepan-3-ol;propane (CID 176685478) is ethane;methanol;oxepan-3-ol;propane.
What is the SMILES notation for ethane;methanol;oxepan-3-ol;propane?
The canonical SMILES for ethane;methanol;oxepan-3-ol;propane is CC.CCC.CO.OC1CCCCOC1.
What is the InChIKey of ethane;methanol;oxepan-3-ol;propane?
The InChIKey is AUIHXSJAPRBTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C3H8.C2H6.CH4O/c7-6-3-1-2-4-8-5-6;1-3-2;2*1-2/h6-7H,1-5H2;3H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;oxepan-3-ol;propane?
ethane;methanol;oxepan-3-ol;propane has a molecular weight of 222.37 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;oxepan-3-ol;propane is sourced from PubChem (CID 176685478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).